[bigdft] Enable building dynamic libraries (#41562)

* bigdft: Add support for building shared libraries
* bigdft: reformat with black
* bigdft: use spec.satisfies instead of searching in spec

var/spack/repos/builtin/packages/bigdft-atlab/package.py

@@ -21,6 +21,9 @@ class BigdftAtlab(AutotoolsPackage):
     variant("mpi", default=True, description="Enable MPI support")
     variant("openmp", default=True, description="Enable OpenMP support")
     variant("openbabel", default=False, description="Enable detection of openbabel compilation")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
 
     depends_on("autoconf", type="build")
     depends_on("automake", type="build")
@@ -39,20 +42,31 @@ def configure_args(self):
         prefix = self.prefix
 
         fcflags = []
+        cflags = []
+        cxxflags = []
+
         if "+openmp" in spec:
             fcflags.append(self.compiler.openmp_flag)
 
+        if spec.satisfies("+shared"):
+            fcflags.append("-fPIC")
+            cflags.append("-fPIC")
+            cxxflags.append("-fPIC")
         if self.spec.satisfies("%gcc@10:"):
             fcflags.append("-fallow-argument-mismatch")
 
         args = [
             "FCFLAGS=%s" % " ".join(fcflags),
+            "CFLAGS=%s" % " ".join(cflags),
+            "CXXFLAGS=%s" % " ".join(cxxflags),
             "--with-futile-libs=%s" % spec["bigdft-futile"].libs.ld_flags,
             "--with-futile-incs=%s" % spec["bigdft-futile"].headers.include_flags + "/futile",
             "--with-moduledir=%s" % prefix.include,
             "--prefix=%s" % prefix,
             "--without-etsf-io",
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+mpi" in spec:
             args.append("CC=%s" % spec["mpi"].mpicc)

var/spack/repos/builtin/packages/bigdft-chess/package.py

@@ -23,6 +23,9 @@ class BigdftChess(AutotoolsPackage, CudaPackage):
     variant("openmp", default=True, description="Enable OpenMP support")
     variant("scalapack", default=True, description="Enable SCALAPACK support")
     variant("ntpoly", default=False, description="Option to use NTPoly")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
     # variant('minpack', default=False,  description='Give the link-line for MINPACK')
 
     depends_on("autoconf", type="build")
@@ -73,6 +76,8 @@ def configure_args(self):
             "--prefix=%s" % prefix,
             "--without-etsf-io",
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+mpi" in spec:
             args.append("CC=%s" % spec["mpi"].mpicc)

var/spack/repos/builtin/packages/bigdft-core/package.py

@@ -23,6 +23,9 @@ class BigdftCore(AutotoolsPackage, CudaPackage):
     variant("openmp", default=True, description="Enable OpenMP support")
     variant("scalapack", default=True, description="Enable SCALAPACK support")
     variant("openbabel", default=False, description="Enable detection of openbabel compilation")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
 
     depends_on("autoconf", type="build")
     depends_on("automake", type="build")
@@ -87,6 +90,8 @@ def configure_args(self):
             "--prefix=%s" % prefix,
             "--without-etsf-io",
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+mpi" in spec:
             args.append("CC=%s" % spec["mpi"].mpicc)

var/spack/repos/builtin/packages/bigdft-futile/package.py

@@ -24,6 +24,9 @@ class BigdftFutile(AutotoolsPackage, CudaPackage):
 
     variant("mpi", default=True, description="Enable MPI support")
     variant("openmp", default=True, description="Enable OpenMP support")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
 
     depends_on("autoconf", type="build")
     depends_on("automake", type="build")
@@ -59,6 +62,8 @@ def configure_args(self):
             "--with-pyyaml-path=%s" % pyyaml,
             "--prefix=%s" % prefix,
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+openmp" in spec:
             args.append("--with-openmp")

var/spack/repos/builtin/packages/bigdft-libabinit/package.py

@@ -26,6 +26,9 @@ class BigdftLibabinit(AutotoolsPackage):
     depends_on("libtool", type="build")
 
     variant("mpi", default=True, description="Enable MPI support")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
 
     depends_on("python@3.0:", type=("build", "run"))
 
@@ -56,6 +59,8 @@ def configure_args(self):
             "--with-moduledir=%s" % prefix.include,
             "--prefix=%s" % prefix,
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+mpi" in spec:
             args.append("CC=%s" % spec["mpi"].mpicc)

var/spack/repos/builtin/packages/bigdft-psolver/package.py

@@ -23,6 +23,9 @@ class BigdftPsolver(AutotoolsPackage, CudaPackage):
     variant("mpi", default=True, description="Enable MPI support")
     variant("openmp", default=True, description="Enable OpenMP support")
     variant("scalapack", default=True, description="Enable SCALAPACK support")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
 
     depends_on("autoconf", type="build")
     depends_on("automake", type="build")
@@ -69,6 +72,8 @@ def configure_args(self):
             "--prefix=%s" % prefix,
             "--without-etsf-io",
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+mpi" in spec:
             args.append("CC=%s" % spec["mpi"].mpicc)

var/spack/repos/builtin/packages/bigdft-spred/package.py

@@ -26,6 +26,9 @@ class BigdftSpred(AutotoolsPackage):
     variant("mpi", default=True, description="Enable MPI support")
     variant("openmp", default=True, description="Enable OpenMP support")
     variant("scalapack", default=True, description="Enable SCALAPACK support")
+    variant(
+        "shared", default=True, description="Build shared libraries"
+    )  # Not default in bigdft, but is typically the default expectation
 
     depends_on("python@3.0:", type=("build", "run"))
 
@@ -72,6 +75,8 @@ def configure_args(self):
             "--with-moduledir=%s" % prefix.include,
             "--prefix=%s" % prefix,
         ]
+        if spec.satisfies("+shared"):
+            args.append("--enable-dynamic-libraries")
 
         if "+mpi" in spec:
             args.append("CC=%s" % spec["mpi"].mpicc)