diff --git a/science/mctc-lib/Makefile b/science/mctc-lib/Makefile
index 970888e217b0..a776e8418ff4 100644
--- a/science/mctc-lib/Makefile
+++ b/science/mctc-lib/Makefile
@@ -1,6 +1,6 @@
 PORTNAME=	mctc-lib
 DISTVERSIONPREFIX=	v
-DISTVERSION=	0.3.2
+DISTVERSION=	0.4.0
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
@@ -21,4 +21,6 @@ CMAKE_ON=	BUILD_SHARED_LIBS
 post-patch: # same as https://github.com/grimme-lab/mctc-lib/pull/55
 	@${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt
 
+# tests as of 0.4.0: 100% tests passed, 0 tests failed out of 28
+
 .include <bsd.port.mk>
diff --git a/science/mctc-lib/distinfo b/science/mctc-lib/distinfo
index d4fb1ff1e4f0..a4dbcd7fe8fe 100644
--- a/science/mctc-lib/distinfo
+++ b/science/mctc-lib/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1725080672
-SHA256 (grimme-lab-mctc-lib-v0.3.2_GH0.tar.gz) = b18b06f80e6274b353dd091c12b3a83217033ce0bd80471b54cf486cc60c0251
-SIZE (grimme-lab-mctc-lib-v0.3.2_GH0.tar.gz) = 131431
+TIMESTAMP = 1743699981
+SHA256 (grimme-lab-mctc-lib-v0.4.0_GH0.tar.gz) = a3c2de289770d691534ff70556f5da4bfce4b184d89053b7a2c7ff2ca1c12b0a
+SIZE (grimme-lab-mctc-lib-v0.4.0_GH0.tar.gz) = 173015
diff --git a/science/mctc-lib/pkg-plist b/science/mctc-lib/pkg-plist
index 1b9b339b6e1c..674cd9c8c3dc 100644
--- a/science/mctc-lib/pkg-plist
+++ b/science/mctc-lib/pkg-plist
@@ -1,4 +1,10 @@
 bin/mctc-convert
+include/mctc-lib/modules/mctc_cutoff.mod
+include/mctc-lib/modules/mctc_data.mod
+include/mctc-lib/modules/mctc_data_atomicrad.mod
+include/mctc-lib/modules/mctc_data_covrad.mod
+include/mctc-lib/modules/mctc_data_paulingen.mod
+include/mctc-lib/modules/mctc_data_vdwrad.mod
 include/mctc-lib/modules/mctc_env.mod
 include/mctc-lib/modules/mctc_env_accuracy.mod
 include/mctc-lib/modules/mctc_env_error.mod
@@ -39,6 +45,13 @@ include/mctc-lib/modules/mctc_io_write_qcschema.mod
 include/mctc-lib/modules/mctc_io_write_turbomole.mod
 include/mctc-lib/modules/mctc_io_write_vasp.mod
 include/mctc-lib/modules/mctc_io_write_xyz.mod
+include/mctc-lib/modules/mctc_ncoord.mod
+include/mctc-lib/modules/mctc_ncoord_dexp.mod
+include/mctc-lib/modules/mctc_ncoord_erf.mod
+include/mctc-lib/modules/mctc_ncoord_erf_dftd4.mod
+include/mctc-lib/modules/mctc_ncoord_erf_en.mod
+include/mctc-lib/modules/mctc_ncoord_exp.mod
+include/mctc-lib/modules/mctc_ncoord_type.mod
 include/mctc-lib/modules/mctc_version.mod
 lib/cmake/mctc-lib/Findjsonfortran.cmake
 lib/cmake/mctc-lib/mctc-lib-config-version.cmake
@@ -47,5 +60,5 @@ lib/cmake/mctc-lib/mctc-lib-targets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/mctc-lib/mctc-lib-targets.cmake
 lib/libmctc-lib.so
 lib/libmctc-lib.so.0
-lib/libmctc-lib.so.0.3.2
+lib/libmctc-lib.so.0.4.0
 libdata/pkgconfig/mctc-lib.pc